2-(2-클로로에틸)-1-메틸피페리딘

2-(2-Chloroethyl)-1-methylpiperidine

HCID 3016566CAS 50846-01-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCCCC1CCCl
InChIKey: UMYMWCKSANKFPI-UHFFFAOYSA-N
분자식: C8H16ClN
평균 분자량: 161.67 g/mol
단동위원소 질량: 161.09712719

이름 및 식별자

우선 이름: 2-(2-Chloroethyl)-1-methylpiperidine
IUPAC: 2-(2-chloroethyl)-1-methylpiperidine
현지명: 2-(2-클로로에틸)-1-메틸피페리딘
영어명: 2-(2-chloroethyl)-1-methylpiperidine
분자식: C8H16ClN
분자량: 161.67

이름 및 동의어

2-(2-Chloroethyl)-1-methylpiperidine50846-01-0EINECS 256-796-7DTXSID60965080RefChem:84032DTXCID601392757256-796-7Piperidine, 2-(2-chloroethyl)-1-methyl-1-methyl-2-(2-chloroethyl)-piperidineThioridazine RC 4 (Base)SCHEMBL4283752ALBB-006395

이름 더 보기

2-(2-클로로에틸)-1-메틸피페리딘N 2-(2-chloroethyl)-1-methylpiperidinePIPERIDINE, 2-(2-CHLOROETHYL)-1-METHYL [THIORIDAZINE BASE]

STK503891AKOS0051715962-(2-chloroethyl)-N-methyl piperidine2-(2-chloroethyl)-N-methyl-piperidineNCGC00666047-01NS00089319

데이터베이스 식별자

CAS: 50846-01-0
PubChem CID: 3016566
DTXSID: DTXSID60965080
EC Number: 256-796-7
Nikkaji: J304.089E

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95.3

물리화학적 성질

녹는점: 111 · 111-113 °C
끓는 점: 80 · 80-83 °C(Press: 11 Torr)
밀도: 0.971 · 0.971±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.74 · 9.74±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.